(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylpiperazin-4-ium-1-yl)ethanenitrile

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylpiperazin-4-ium-1-yl)ethanenitrile Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylpiperazin-4-ium-1-yl)acetonitrile CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethyl-1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylpiperazin-4-ium-1-yl)acetonitrile Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethylpiperazin-4-ium-1-yl)acetonitrile Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(C#N)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](C#N)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H21N3O2/c1-2-18-5-7-19(8-6-18)14(12-17)13-3-4-15-16(11-13)21-10-9-20-15/h3-4,11,14H,2,5-10H2,1H3/p+1/t14-/m1/s1